NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 V 4.0201 8.0544 114.0560 61.2853 32.9619 174.2294 22 S 4.4515 8.3246 115.2066 54.7772 63.9824 168.3027 23 V 4.3188 8.2258 126.7614 60.3862 34.7980 172.9500 24 D 4.5312 8.6633 123.7053 53.2531 40.7610 175.0579 25 L 4.5647 8.3218 127.1650 52.9378 43.1846 175.5619 26 N 4.8409 8.6906 122.0850 51.5472 40.5728 173.5124 27 V 4.1569 8.2362 125.0454 62.6470 33.9458 175.4427 28 D 4.3310 8.7623 128.5969 54.6036 38.1254 172.2802 29 P 4.4249 0.0000 0.0000 63.0888 32.5560 177.0520 30 S 4.8085 8.4826 113.5724 58.9173 64.7427 173.2216 31 L 4.7803 7.7251 122.2954 53.8067 44.7288 174.9645 32 Q 4.6617 9.3792 125.8199 54.1054 32.0627 174.6836 33 I 5.0829 8.3795 124.1096 59.6244 40.6789 174.2478 34 D 4.8228 8.9928 124.2001 52.6150 43.6139 174.2165 35 I 5.4392 9.4873 120.3659 58.3205 37.8253 174.1161 36 P 4.5177 0.0000 0.0000 64.2407 32.3178 175.8982 37 D 4.8195 7.7306 116.8599 52.7033 42.4633 173.8943 38 A 5.0612 8.1304 119.8328 51.0469 22.6615 175.2445 39 L 4.8886 9.0725 120.7733 53.3797 45.6323 175.0498 40 S 4.9700 8.9588 120.3223 56.4322 64.7960 172.8450 41 E 4.3786 8.8745 126.1917 55.4406 32.0848 176.3809 42 R 3.7115 9.5197 125.4994 57.4452 27.6693 176.6493 43 D 4.1729 7.3753 113.1412 54.6088 39.7741 174.3118 44 K 4.4587 7.8434 120.4455 55.1795 33.5393 175.6904 45 V 4.4721 8.3602 125.4545 61.3992 33.0700 174.8920 46 K 4.7730 9.2154 127.3504 54.7338 34.8275 174.9319 47 F 5.1198 9.5182 124.6960 56.3440 41.5070 175.2190 48 T 4.7559 8.8283 120.9294 63.1697 69.7969 173.9234 49 V 4.4670 9.2030 128.1330 61.7834 33.2542 173.5590 50 H 5.2579 9.1414 129.1876 54.7564 32.0162 173.4569 51 T 4.7632 8.4174 121.9424 61.3912 72.0334 173.0038 52 K 4.7934 8.7426 124.6754 54.7747 35.1478 175.1681 53 T 5.0452 8.8898 118.8725 60.8547 71.4026 173.7203 54 T 4.5849 8.6260 116.8232 61.5185 70.0250 174.0026 55 L 4.6971 8.0132 124.3105 53.4938 42.5166 176.1901 56 P 4.3492 0.0000 0.0000 66.1416 31.2584 177.7691 57 T 3.9186 7.9865 113.9602 65.0379 68.4962 173.7885 58 F 4.7805 7.6999 120.4279 55.1449 41.0004 176.5127 59 Q 3.9926 8.2594 124.8600 58.8742 29.0355 176.7925 60 S 4.7546 7.3545 110.0097 55.8495 65.6966 171.8301 61 P 4.7040 0.0000 0.0000 64.1999 32.5302 175.2916 62 E 5.0391 8.0051 121.3976 54.9807 32.8912 174.0193 63 F 4.9577 7.9864 119.7650 56.3333 41.6440 172.9341 64 S 5.2694 8.8569 115.2053 57.0407 66.4660 173.5653 65 V 4.6382 8.9420 115.7564 59.9704 36.1734 174.2726 66 T 5.1857 8.4337 117.9654 62.2137 70.1593 174.6010 67 R 4.9899 9.5766 125.0792 54.5930 34.5171 174.6553 68 Q 5.2472 9.6349 120.7490 54.3832 32.1894 176.2238 69 H 4.3634 9.5441 119.9680 59.9749 29.7414 176.9852 70 E 4.1480 8.5483 118.4733 59.6238 29.1855 178.7217 71 D 4.7536 8.5782 120.0638 57.4051 40.7831 178.6658 72 F 4.3104 8.7347 118.0790 60.3929 39.0725 177.7911 73 V 3.5577 8.0746 118.0200 65.6371 31.3342 177.6070 74 W 4.2797 8.8552 128.4536 60.6555 30.5212 177.5970 75 L 3.2083 8.4366 120.0302 58.1755 41.4832 178.4275 76 H 4.1626 8.5922 118.4848 59.2566 29.8354 176.7345 77 D 4.3197 8.4081 121.3800 57.8109 40.5597 179.1502 78 T 3.8660 7.3602 107.8279 63.9172 68.9896 176.3400 79 L 4.2273 7.4946 122.1367 57.9558 41.5778 179.0379 80 T 3.7882 7.6532 114.6556 66.4719 68.4063 174.9603 81 E 4.2604 7.9414 115.8600 56.4321 30.3197 176.3715 82 T 3.8126 7.7083 118.9754 63.7670 68.8933 174.7543 83 T 3.8014 8.7309 117.6891 65.0133 68.4488 175.9805 84 D 4.3618 7.7761 120.0414 55.9992 41.0651 176.6632 85 Y 4.8266 7.5922 115.6828 57.5646 38.3578 177.3565 86 A 4.1911 7.9896 124.7575 54.8589 18.4861 179.0944 87 G 3.9007 8.0253 101.9548 45.8473 0.0000 173.5150 88 L 4.4567 7.9787 120.2434 53.3041 43.1303 176.9183 89 I 4.0788 8.0099 122.1692 60.2815 36.3824 175.5688 90 I 3.9990 8.0325 127.2644 59.2489 37.7399 174.7823 91 P 4.4228 0.0000 0.0000 61.9771 31.6389 174.4131 92 P 4.2644 0.0000 0.0000 62.1997 31.9572 176.1395 93 A 3.0429 7.7620 123.4926 51.3091 18.7785 175.8517 94 P 4.2112 0.0000 0.0000 62.3920 32.1132 176.5185 95 T 4.0579 7.3874 109.5107 60.6243 69.6090 174.5952 96 K 3.3160 8.2994 124.4741 55.6839 32.6742 174.9022 97 P 3.9760 0.0000 0.0000 62.8700 31.6935 175.3945 98 D 4.4081 7.7462 121.0422 52.9572 43.0867 174.3220 99 F 4.6357 8.4877 124.5096 57.5353 39.5086 177.6844 100 D 4.5089 8.4285 124.3948 57.6870 40.4676 178.3847 101 G 3.7267 8.1854 105.5104 47.8095 0.0000 173.5699 102 P 4.3889 0.0000 0.0000 64.8676 31.6341 178.8225 103 R 4.1688 8.1691 116.0811 59.3796 30.2977 178.6566 104 E 4.2022 8.5763 118.7658 59.0166 29.4395 179.9999 105 K 4.2670 8.0216 118.0759 56.6634 32.1814 178.3880 *107 Q 4.2514 8.0434 119.3827 55.6107 30.8556 176.9707 108 K 3.9249 8.1796 117.2685 59.5495 31.7714 178.9036 109 L 4.1390 7.9381 119.5160 58.2659 42.1807 179.0354 110 G 3.9393 8.1949 105.1434 47.9325 0.0000 175.3971 111 E 4.1894 8.2396 120.2381 58.6204 29.5298 178.4474 112 G 4.0753 7.7108 104.4450 44.7725 0.0000 175.2563 113 E 3.6528 7.8308 124.6680 58.6004 29.7035 178.7046 114 G 3.6769 7.9182 106.5730 48.0600 0.0000 173.3648 115 S 4.4803 7.4454 115.9644 59.1729 63.4450 174.6714 *117 T 4.1664 7.6822 109.7225 61.1975 70.9553 173.4969 118 K 3.9224 8.4667 120.9141 60.0178 32.1925 179.1271 119 E 4.2369 8.1341 117.4358 58.5022 29.4496 178.7503 120 E 3.9969 7.8567 118.1166 59.2972 29.6023 178.7635 121 F 4.2546 8.2489 119.3377 61.1018 39.8079 176.6154 122 A 4.1740 8.1486 120.5058 55.0679 18.1342 180.1388 123 K 3.7158 7.6952 113.9574 57.2998 31.9346 178.2233 *125 K 3.8891 7.9461 120.1991 55.9243 34.0272 177.4597 126 Q 3.9390 7.9543 119.1835 59.4138 28.8759 178.2755 127 E 4.0129 8.1583 119.4247 59.2131 29.3385 179.1967 128 L 4.1679 7.7724 118.5274 57.2167 41.8261 178.8622 129 E 3.9354 8.3030 118.5885 59.4080 29.4161 179.1831 130 A 4.0512 8.1549 120.6975 55.2183 18.5128 179.5120 131 E 3.9791 8.2596 117.1373 59.6373 29.5288 178.9327 132 Y 4.1057 8.4258 119.7288 60.8456 38.9022 178.0678 133 L 4.3401 8.6245 120.0230 58.0590 41.7513 179.4967 134 A 4.1896 8.3600 120.5776 54.9097 18.2511 179.9243 135 V 3.5307 7.7221 116.7600 65.8405 31.5315 178.0420 136 F 4.4899 8.5732 120.5235 61.4693 39.3591 176.9216 137 K 3.8670 8.6500 119.7123 59.5285 31.9480 178.6033 138 K 3.9929 7.9362 119.4641 59.7028 32.1163 178.7695 139 T 3.9755 8.1547 113.4974 64.7084 67.1451 176.5839 140 V 3.9043 8.2265 120.6637 66.1018 31.5616 177.8895 141 S 4.1086 8.1089 112.8708 61.3914 62.1541 175.9398 142 S 4.0481 8.0239 115.7079 61.8980 62.0114 175.9808 143 H 3.8849 8.1689 118.7877 58.5063 28.2056 177.5115 144 E 4.0405 8.6190 121.5431 59.3710 29.5551 178.6540 145 V 3.5787 8.4187 118.7545 66.1918 31.4710 177.5008 146 F 4.2596 8.0616 119.6295 61.6047 39.1431 177.1439 147 L 3.7016 7.7774 118.4768 57.7977 41.3233 179.6060 148 Q 3.9993 8.3571 118.1792 58.9339 28.3578 178.9153 149 R 3.8743 8.3218 119.5232 59.2944 29.8805 179.1358 150 L 3.5969 7.3162 117.7812 57.5238 41.5155 179.5221 151 S 4.4792 8.1682 113.2717 60.9934 63.0180 175.9481 152 S 4.5151 7.4829 117.2904 58.9000 63.2041 173.8610 153 H 4.1757 7.4724 122.8546 55.0604 29.9273 174.0731 154 P 4.2235 0.0000 0.0000 65.5360 31.9557 177.9195 155 V 3.9021 8.0121 117.1985 65.4316 32.1546 177.9921 156 L 3.6577 7.6626 119.4683 57.3447 41.5752 179.3186 157 S 4.5264 8.2060 112.6968 60.5288 62.8841 175.0296 158 K 4.4554 7.7262 118.5780 56.4070 32.6326 176.8086 159 D 4.5816 8.1263 120.6108 54.1585 42.7577 177.0098 160 R 3.9910 8.6218 123.2092 59.2071 29.7684 178.7691 161 N 4.5896 8.4023 117.0920 56.0946 38.4981 176.8348 162 F 4.5669 8.7067 122.2633 61.8579 39.5193 176.9673 163 H 4.2874 8.5062 115.9222 58.7747 28.4173 177.9906 164 V 3.7313 8.4128 120.4819 66.0090 31.2053 177.6249 165 F 4.1439 8.8026 119.6161 61.7012 39.2970 176.8728 166 L 4.3475 8.3330 117.5939 56.6956 41.5369 177.6393 167 E 4.3886 8.2588 114.7256 56.4554 31.4893 174.6388 168 Y 3.9861 8.0511 120.5315 58.1777 38.4770 175.4243 169 D 4.7937 7.9821 129.0597 53.3183 40.2814 175.6806 170 Q 4.3373 7.2753 117.5623 55.2795 33.2210 173.8099 171 D 4.4301 8.5877 117.8692 54.3731 40.7069 176.5842 172 L 3.6581 8.4311 129.5755 57.3949 42.3973 178.0469 173 S 4.1171 7.9287 112.8600 60.2941 62.5884 174.1528 174 V 3.9763 7.4958 117.4351 61.3162 31.6319 175.2368 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 21 V 8.05 4.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 22 S 8.32 4.45 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.23 4.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 24 D 8.66 4.53 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.32 4.56 0.00 1.66 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.69 4.84 0.00 2.64 2.68 0.00 0.00 6.92 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.24 4.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 28 D 8.76 4.33 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.42 0.00 2.17 2.26 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 30 S 8.48 4.81 0.00 3.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.73 4.78 0.00 1.64 1.58 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.38 4.66 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 33 I 8.38 5.08 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.97 0.00 0.00 34 D 8.99 4.82 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 9.49 5.44 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.97 1.27 0.00 0.00 36 P 0.00 4.52 0.00 2.16 2.26 0.00 4.06 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 37 D 7.73 4.82 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.13 5.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.07 4.89 0.00 1.77 1.50 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.96 4.97 0.00 2.86 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.87 4.38 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 42 R 9.52 3.71 0.00 1.82 1.90 0.00 3.33 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 43 D 7.38 4.17 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.84 4.46 0.00 1.97 1.73 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 45 V 8.36 4.47 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.80 0.00 0.00 46 K 9.22 4.77 0.00 1.68 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 47 F 9.52 5.12 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.83 4.76 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 49 V 9.20 4.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.22 0.00 0.00 50 H 9.14 5.26 0.00 3.19 3.12 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.42 4.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 52 K 8.74 4.79 0.00 1.44 1.54 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.10 7.81 53 T 8.89 5.05 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 54 T 8.63 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 55 L 8.01 4.70 0.00 2.11 1.81 1.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.19 2.22 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 57 T 7.99 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 58 F 7.70 4.78 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.26 3.99 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 60 S 7.35 4.75 0.00 3.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.70 0.00 2.18 2.33 0.00 3.98 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 62 E 8.01 5.04 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 63 F 7.99 4.96 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.86 5.27 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.94 4.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 66 T 8.43 5.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 67 R 9.58 4.99 0.00 1.88 1.89 0.00 2.59 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.00 68 Q 9.63 5.25 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 69 H 9.54 4.36 0.00 3.50 3.53 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.55 4.15 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 71 D 8.58 4.75 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.73 4.31 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.07 3.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.85 0.00 0.00 74 W 8.86 4.28 0.00 3.47 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.44 3.21 0.00 1.92 1.79 0.82 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.59 4.16 0.00 3.09 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.41 4.32 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.36 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 79 L 7.49 4.23 0.00 1.73 1.68 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.65 3.79 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 81 E 7.94 4.26 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 82 T 7.71 3.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 83 T 8.73 3.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 84 D 7.78 4.36 0.00 2.19 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.59 4.83 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.99 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.98 4.46 0.00 1.66 1.54 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.01 4.08 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.91 0.00 0.00 90 I 8.03 4.00 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.86 0.00 0.00 91 P 0.00 4.42 0.00 2.35 2.08 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 92 P 0.00 4.26 0.00 2.11 2.05 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 93 A 7.76 3.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.21 0.00 1.33 1.75 0.00 3.08 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 95 T 7.39 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 96 K 8.30 3.32 0.00 1.68 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.48 7.81 97 P 0.00 3.98 0.00 2.05 1.83 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 98 D 7.75 4.41 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.49 4.64 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.43 4.51 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.19 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.39 0.00 2.32 2.33 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 103 R 8.17 4.17 0.00 1.94 2.06 0.00 3.37 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 104 E 8.58 4.20 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 105 K 8.02 4.27 0.00 2.04 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *107 Q 8.04 4.25 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 108 K 8.18 3.92 0.00 2.01 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 109 L 7.94 4.14 0.00 1.72 1.71 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.19 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.24 4.19 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 112 G 7.71 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.83 3.65 0.00 1.59 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 114 G 7.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.45 4.48 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 T 7.68 4.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 118 K 8.47 3.92 0.00 1.84 1.95 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 119 E 8.13 4.24 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 E 7.86 4.00 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 121 F 8.25 4.25 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.15 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.70 3.72 0.00 1.99 1.93 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.44 7.81 *125 K 7.95 3.89 0.00 1.55 1.74 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.14 7.81 126 Q 7.95 3.94 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 127 E 8.16 4.01 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 128 L 7.77 4.17 0.00 1.78 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.30 3.94 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 130 A 8.15 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.26 3.98 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 132 Y 8.43 4.11 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.62 4.34 0.00 2.00 1.82 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.36 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.72 3.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.92 0.00 0.00 136 F 8.57 4.49 0.00 3.46 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.65 3.87 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 138 K 7.94 3.99 0.00 1.98 1.93 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 139 T 8.15 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 140 V 8.23 3.90 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.17 0.00 0.00 141 S 8.11 4.11 0.00 3.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.02 4.05 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.17 3.88 0.00 2.88 2.43 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.62 4.04 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 145 V 8.42 3.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 146 F 8.06 4.26 0.00 3.03 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.78 3.70 0.00 1.89 1.84 1.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.36 4.00 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 149 R 8.32 3.87 0.00 1.99 1.90 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 150 L 7.32 3.60 0.00 0.87 0.24 -0.45 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.17 4.48 0.00 4.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.48 4.52 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.47 4.18 0.00 3.03 3.02 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.22 0.00 2.06 2.09 0.00 3.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 155 V 8.01 3.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 156 L 7.66 3.66 0.00 1.38 1.22 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.21 4.53 0.00 4.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.73 4.46 0.00 1.97 1.91 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.60 7.81 159 D 8.13 4.58 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.62 3.99 0.00 2.02 2.15 0.00 3.20 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 161 N 8.40 4.59 0.00 2.96 2.75 0.00 0.00 6.80 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.71 4.57 0.00 3.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.51 4.29 0.00 3.39 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 8.41 3.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 165 F 8.80 4.14 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.33 4.35 0.00 1.86 1.90 0.31 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.26 4.39 0.00 1.59 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.15 0.00 168 Y 8.05 3.99 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 7.98 4.79 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 7.28 4.34 0.00 1.43 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 171 D 8.59 4.43 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.43 3.66 0.00 1.47 1.64 0.32 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 173 S 7.93 4.12 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.50 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.